299069 <common-name>[3-carboxy-2-[5-(dithiolan-3-yl)pentanoyloxy]propyl]-trimethylazanium</common-name> <description>[3-carboxy-2-[5-(dithiolan-3-yl)pentanoyloxy]propyl]-trimethylazanium is a chemical compound with the formula C15H28NO4S2+. It has an average molecular weight of 350.50 g/mol.</description> <cas nil="true"/> <pubchem-id>156963023</pubchem-id> <chemical-formula>C15H28NO4S2+</chemical-formula> <weight>350.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-28T15:28:37Z</created-at> <updated-at type="dateTime">2026-08-28T15:28:37Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCC1CCSS1</moldb-smiles> <moldb-formula>C15H28NO4S2+</moldb-formula> <moldb-inchi>InChI=1S/C15H27NO4S2/c1-16(2,3)11-12(10-14(17)18)20-15(19)7-5-4-6-13-8-9-21-22-13/h12-13H,4-11H2,1-3H3/p+1</moldb-inchi> <moldb-inchikey>OCXQKUQLUPSAMX-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">350.1459757</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM294962</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[3-carboxy-2-[5-(dithiolan-3-yl)pentanoyloxy]propyl]-trimethylazanium</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0250386</sync-id> <structure-inchikey>OCXQKUQLUPSAMX-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>400000000000000004008000000000040000000000000000000000002000000000000000000000030002000000000000040000020000000000000000000000000000000000000004000000000000080000200000100001000200000000000000000004000100000080000000000800020000000200000000000008000000001000000000400000000000000000000410000000000000000000000000000090000020000000040000000000000020010000000000c0000000000000020000000000000008000000000000100000000000000000000000000000400000000000000000000000000000020000000000010400000000000000000000000008000000</structure-fingerprint> <structure-pattern-fingerprint>5000002081020e0088020100010820000000040804052000003000408200000c4402005000800000000041000080000804200085008c10010000643000a04000c6110400001004000080102000620100000404804001083240408422400009000c2000020048020060000040d4340000200080500105e0041118802042100402404480088ce080080c420244882c00081114081244401403000408000040c0a4404310000010c00000000840016d25100ac00001880108001800001000400200801000a40480000200800000010102800000000002004020090000040800020000000810000000000000000100122004001000308042000c0000010050000002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAFgAAAIABBgBgAAAAAQMHICIAAAAB BAYAYAAAAAEDBgBgAAAAAQMGAGAAAAACAgYAYAAAAAMBBgBgAAAAAgIGACgA AAADBAgAKAAAAAMCCABoAAAAAwEBCAAoAAAAAwIGACgAAAADBAgAKAAAAAMC BgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAADAQYAYAAA AAICBgBgAAAAAgIQACAAAAACEAAgAAAAAgsAAQABAgABAwABBAAEBQAFBgAG BwAHCCgCBwkgBQoACgsgCwwoAgsNAA0OAA4PAA8QABARABESABITABMUABQV ABURAEIBAAAABRESExQVFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:09:30Z</structure-indexed-at> </compound>